REMARK Name = BDB035774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.318 1.152 0.436 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.869 1.860 0.228 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.074 3.041 0.010 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.965 0.885 0.298 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.324 1.103 0.167 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.183 0.000 0.280 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.638 -1.284 0.516 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.250 -1.490 0.649 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.425 -0.375 0.532 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.064 -0.273 0.616 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.063 1.367 0.678 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.750 0.859 0.602 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.629 1.700 0.499 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.855 3.079 0.477 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.147 3.603 0.566 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.245 2.754 0.667 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.275 0.439 0.749 0.00 0.00 +0.118 C BRANCH 17 20 ATOM 18 C LIG 1 -5.589 1.050 -2.312 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.426 -0.248 -1.714 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.294 -0.558 -0.384 0.00 0.00 +0.143 A ATOM 21 N LIG 1 -5.159 -1.869 -0.275 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -5.176 -2.412 -1.533 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.335 -1.427 -2.387 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.349 -0.269 2.136 0.00 0.00 +0.080 C ATOM 25 C LIG 1 -6.761 -0.860 2.475 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -7.082 0.442 3.226 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -5.570 0.669 3.370 0.00 0.00 +0.036 C BRANCH 24 28 ATOM 28 O LIG 1 -4.271 -1.226 2.320 0.00 0.00 -0.388 OA ATOM 29 H LIG 1 -4.428 -1.899 1.623 0.00 0.00 +0.210 HD ENDBRANCH 24 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.677 -2.864 0.890 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.932 -3.300 -0.164 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.622 -3.822 1.107 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.853 -2.898 1.976 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.679 0.186 0.125 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.060 0.382 -1.274 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.232 0.542 -1.850 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.974 -0.646 -1.785 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.637 -0.057 -3.067 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.989 -0.563 -2.518 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.367 -0.504 -1.108 0.00 0.00 +0.022 C ATOM 41 C LIG 1 6.358 -2.023 -1.944 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9